DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL4863102_dpp4

Atoms: 297
Models: 9
Best Energy: -7.985 kcal/mol

Binding Energies:
  • Pose 1: -7.985 kcal/mol
  • Pose 2: -7.539 kcal/mol
  • Pose 3: -7.489 kcal/mol
  • Pose 4: -7.449 kcal/mol
  • Pose 5: -7.411 kcal/mol
  • Pose 6: -7.398 kcal/mol
  • Pose 7: -7.293 kcal/mol
  • Pose 8: -7.209 kcal/mol
  • Pose 9: -7.208 kcal/mol
CHEMBL4863102_dpp4
Energy Plot
RMSD Scatter Plot